Steviol acetate
TL;DR: Steviol acetate (CAS 5460-99-1) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,9S,10R,13S)-13-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Steviol acetate, KST-1A5893, KST-1A5894, 13-(Acetyloxy)kaur-16-en-18-oic acid, (1R,5R,9S,10R,13S)-13-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 5460-99-1 |
|---|---|
| SMILES | CC(=O)O[C@@]12CC[C@H]3[C@@]4(CCC[C@@](C4CC[C@]3(C1)CC2=C)(C)C(=O)O)C |
| InChIKey | OWNAFQAMMJOLHX-BQCLRKHDSA-N |
Product Overview
Steviol acetate (CAS 5460-99-1), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: (1R,5R,9S,10R,13S)-13-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of Steviol acetate
Property Insights of Steviol acetate
The XLogP value of 4.4 indicates that Steviol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Steviol acetate. Following Lipinski's Rule of Five, Steviol acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Steviol acetate?
The CAS number of Steviol acetate is 5460-99-1.
What is the molecular formula of Steviol acetate?
The molecular formula of Steviol acetate is C22H32O4.
What is the molecular weight of Steviol acetate?
The molecular weight of Steviol acetate is 360.23 g/mol.
Where can I buy Steviol acetate?
You can request a quote for Steviol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Steviol acetate?
Yes, KEHONG BIO provides custom synthesis services for Steviol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.